SCHEMBL11477152

SCHEMBL11477152

NC(=O)N1CCC(C(=O)O)(c2ccccc2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
TET3 O43151 2/20 0.42
FBXL19 Q6PCT2 2/20 0.42
CXXC5 Q7LFL8 2/20 0.42
KDM2B Q8NHM5 2/20 0.42
CXXC4 Q9H2H0 2/20 0.42
KDM2A Q9Y2K7 2/20 0.42
HSD11B1 P28845 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
PTPN11 Q06124 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HTR1A P08908 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
HTR3A P46098 2/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11258115 0.86 RHEB (0.44) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL11257926 0.79 ALDH1A1 (0.48) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL11248843 0.77 ALDH1A1 (0.42) KMT2ALMNAALDH1A1CYP1A2CYP3A4
SCHEMBL11479620 0.77 CCR8 (0.44) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL11248404 0.74 SMN1; SMN2 (0.43) KDM4ELMNAALDH1A1HTR1AHTR3A
SCHEMBL11484877 0.72 MEN1 (0.46) KMT2AHSD11B1KDM4ELMNAALDH1A1
SCHEMBL11253946 0.72 ALDH1A1 (0.46) KMT2AKDM4ELMNAALDH1A1CYP1A2
SCHEMBL11490169 0.71 ALDH1A1 (0.47) KMT2AKDM4ELMNAALDH1A1CYP1A2
SCHEMBL27381366 0.71 KMT2A (0.65) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL11253111 0.71 HTR1A (0.43) KMT2AKDM4ELMNAALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4198419-A Phenylthiophenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed